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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:1-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(1-naphthalenyl)urea
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Accession:CHEBI:127247 term browser browse the term
Definition:A naphthalene that has formula C35H37F3N4O4.
Synonyms:related_synonym: Formula=C35H37F3N4O4;   InChI=1S/C35H37F3N4O4/c1-22-18-42(23(2)21-43)33(44)29-17-27(39-34(45)40-30-10-6-8-25-7-4-5-9-28(25)30)15-16-31(29)46-32(22)20-41(3)19-24-11-13-26(14-12-24)35(36,37)38/h4-17,22-23,32,43H,18-21H2,1-3H3,(H2,39,40,45)/t22-,23-,32-/m0/s1;   InChIKey=TXGYYWCQXDVHML-HYUGZUBYSA-N;   SMILES=C[C@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=CC4=CC=CC=C43)O[C@H]1CN(C)CC5=CC=C(C=C5)C(F)(F)F)[C@@H](C)CO
 xref: LINCS:LSM-38807

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Term Annotations click to browse term
  CHEBI ontology 2
    chemical entity 2
      molecular entity 2
        polyatomic entity 2
          molecule 2
            cyclic compound 2
              bicyclic compound 0
                carbobicyclic compound 0
                  naphthalenes 0
                    1-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(1-naphthalenyl)urea 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 2
    subatomic particle 2
      composite particle 2
        hadron 2
          baryon 2
            nucleon 2
              atomic nucleus 2
                atom 2
                  main group element atom 2
                    p-block element atom 2
                      carbon group element atom 2
                        carbon atom 2
                          organic molecular entity 2
                            organic molecule 2
                              organic cyclic compound 2
                                carbocyclic compound 1
                                  carbopolycyclic compound 0
                                    carbobicyclic compound 0
                                      naphthalenes 0
                                        1-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(1-naphthalenyl)urea 0
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